[4-[(6-chloranyl-8-methyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium chloride

Systemtic Name: [4-[(6-chloranyl-8-methyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium chloride Openeye Name: [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethyl-ammonium chloride CAS Name: [4-[[(6-chloro-8-methyl-2H-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]methyl-cyclohexyl-dimethylammonium chloride IUPAC Name: [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium chloride Traditional Name: [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]benzyl]-cyclohexyl-dimethyl-ammonium chloride Formula: C26H32Cl2N2O2 MolecularWeight: 475.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C=C(CO2)C(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCCCC4.[Cl-]

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C=C(CO2)C(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCCCC4.[Cl-]

InChI

InChI=1S/C26H31ClN2O2.ClH/c1-18-13-22(27)15-20-14-21(17-31-25(18)20)26(30)28-23-11-9-19(10-12-23)16-29(2,3)24-7-5-4-6-8-24;/h9-15,24H,4-8,16-17H2,1-3H3;1H